ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001296
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIISOPROPYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIISOPROPYL ESTER
CH$NAME: DIISOPROPYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₈O₄
CH$EXACT_MASS: 250.12051
CH$SMILES: CC(C)OC(=O)c(c1)c(ccc1)C(=O)OC(C)C
CH$IUPAC: InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
CH$LINK: INCHIKEY QWDBCIAVABMJPP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2040731

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-2900000000-2d21a6736a08e037d771
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 3.81 38
  31 1 10
  39 3.33 33
  41 7.26 73
  42 1.81 18
  43 10.47 105
  45 1.27 13
  50 2.12 21
  51 1.03 10
  59 1.81 18
  65 3.15 32
  76 3.15 32
  77 1.15 12
  93 2.12 21
  104 2.42 24
  105 3.21 32
  121 2.72 27
  122 3.63 36
  149 99.99 999
  150 10.59 106
  167 3.87 39
  191 2.84 28
  192 2.36 24
  209 2.96 30
//